Geometry & MOs

Info

ID:	44847
PubChem CID:	10506157
Reduced:	FN5C13H15 (2)
Stoich.:	AB5C13D15 (2)
Weight, g/mol:	520.246104
ΔH_f, kcal/mol:	26.46
Dipole, Da:	5.84
IP(EA), eV:	-8.55(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6,13-dimethoxy-4,15-dipropyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-9-yl)-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)NCCNC2=NC(=CC=C2)F)NCCNC3=NC(=CC=C3)NCCNC4=NC(=CC=C4)F

DOS

IR

Vibrations